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Article: Atomistic simulation of kink-pairs of screw dislocations in body-centred cubic iron

TitleAtomistic simulation of kink-pairs of screw dislocations in body-centred cubic iron
Authors
Issue Date2000
PublisherPergamon. The Journal's web site is located at http://www.elsevier.com/locate/actamat
Citation
Acta Materialia, 2000, v. 48 n. 17, p. 4255-4265 How to Cite?
AbstractThe nudged elastic band method is used to calculate the activation paths connecting jumps between the two degenerate states A and B of the screw dislocation core in body-centred cubic (bcc) iron. Kink-pairs are found to be involved in all such jumps. By comparing the activation energies, it is shown that the jump from state A to state B on the {101} plane is not the same as that from B to A, and whichever is easier depends on the direction of the applied stress. This asymmetry results in a characteristic zigzag pattern of slip, and forms the basis of an explanation for pencil glide at elevated temperatures. The activation energy of the rate-determining jump is found to decrease with increasing stress, but the predicted flow stress is about three times greater than the experimental value at all temperatures.
Persistent Identifierhttp://hdl.handle.net/10722/76209
ISSN
2015 Impact Factor: 5.058
2015 SCImago Journal Rankings: 3.683
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorWen, Men_HK
dc.contributor.authorNgan, AHWen_HK
dc.date.accessioned2010-09-06T07:18:41Z-
dc.date.available2010-09-06T07:18:41Z-
dc.date.issued2000en_HK
dc.identifier.citationActa Materialia, 2000, v. 48 n. 17, p. 4255-4265en_HK
dc.identifier.issn1359-6454en_HK
dc.identifier.urihttp://hdl.handle.net/10722/76209-
dc.description.abstractThe nudged elastic band method is used to calculate the activation paths connecting jumps between the two degenerate states A and B of the screw dislocation core in body-centred cubic (bcc) iron. Kink-pairs are found to be involved in all such jumps. By comparing the activation energies, it is shown that the jump from state A to state B on the {101} plane is not the same as that from B to A, and whichever is easier depends on the direction of the applied stress. This asymmetry results in a characteristic zigzag pattern of slip, and forms the basis of an explanation for pencil glide at elevated temperatures. The activation energy of the rate-determining jump is found to decrease with increasing stress, but the predicted flow stress is about three times greater than the experimental value at all temperatures.en_HK
dc.languageengen_HK
dc.publisherPergamon. The Journal's web site is located at http://www.elsevier.com/locate/actamaten_HK
dc.relation.ispartofActa Materialiaen_HK
dc.titleAtomistic simulation of kink-pairs of screw dislocations in body-centred cubic ironen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=1359-6454&volume=48&spage=4255&epage=4265&date=2000&atitle=Atomistic+Simulation+of+Kink-Pairs+of+Screw+Dislocations+in+Body-Centred+Cubic+Ironen_HK
dc.identifier.emailNgan, AHW:hwngan@hkucc.hku.hken_HK
dc.identifier.authorityNgan, AHW=rp00225en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1016/S1359-6454(00)00288-3en_HK
dc.identifier.scopuseid_2-s2.0-0034319370en_HK
dc.identifier.hkuros58584en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0034319370&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume48en_HK
dc.identifier.issue17en_HK
dc.identifier.spage4255en_HK
dc.identifier.epage4265en_HK
dc.identifier.isiWOS:000165337900008-
dc.publisher.placeUnited Kingdomen_HK
dc.identifier.scopusauthoridWen, M=7102904680en_HK
dc.identifier.scopusauthoridNgan, AHW=7006827202en_HK
dc.identifier.citeulike8361570-

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